7C5C
 
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6MBE
 | | Human Mcl-1 in complex with the designed peptide dM7 | | Descriptor: | CHLORIDE ION, Induced myeloid leukemia cell differentiation protein Mcl-1, dM7 | | Authors: | Jenson, J.M, Keating, A.E. | | Deposit date: | 2018-08-29 | | Release date: | 2019-03-06 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Tertiary Structural Motif Sequence Statistics Enable Facile Prediction and Design of Peptides that Bind Anti-apoptotic Bfl-1 and Mcl-1.
Structure, 27, 2019
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2PKK
 | | Crystal structure of M tuberculosis Adenosine Kinase complexed with 2-fluro adenosine | | Descriptor: | 2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, Adenosine kinase | | Authors: | Reddy, M.C.M, Palaninathan, S.K, Shetty, N.D, Owen, J.L, Watson, M.D, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2007-04-17 | | Release date: | 2007-06-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | High resolution crystal structures of Mycobacterium tuberculosis adenosine kinase: insights into the mechanism and specificity of this novel prokaryotic enzyme
J.Biol.Chem., 282, 2007
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6MBD
 | | Human Mcl-1 in complex with the designed peptide dM1 | | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION, dM1 | | Authors: | Jenson, J.M, Keating, A.E. | | Deposit date: | 2018-08-29 | | Release date: | 2019-03-06 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Tertiary Structural Motif Sequence Statistics Enable Facile Prediction and Design of Peptides that Bind Anti-apoptotic Bfl-1 and Mcl-1.
Structure, 27, 2019
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1REJ
 | | Crystal structure of cAMP-dependent protein kinase complexed with balanol analog 1 | | Descriptor: | 3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-HYDROXYBENZOATE, cAMP-dependent protein kinase, alpha-catalytic subunit | | Authors: | Akamine, P, Madhusudan, Brunton, L.L, Ou, H.D, Canaves, J.M, Xuong, N.H, Taylor, S.S. | | Deposit date: | 2003-11-06 | | Release date: | 2004-02-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Balanol analogues probe specificity determinants and the conformational malleability of the cyclic 3',5'-adenosine monophosphate-dependent protein kinase catalytic subunit
Biochemistry, 43, 2004
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3R5N
 | | Crystal structure of PPARgammaLBD complexed with the agonist magnolol | | Descriptor: | 5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol, Peroxisome proliferator-activated receptor gamma | | Authors: | Zhang, H, Chen, L, Chen, J, Hu, L, Jiang, H, Shen, X. | | Deposit date: | 2011-03-18 | | Release date: | 2012-02-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular determinants of magnolol targeting both RXR(alpha) and PPAR(gamma).
Plos One, 6, 2011
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2POT
 | | tRNA guanine transglycosylase (TGT) E235Q mutant in complex with guanine | | Descriptor: | GLYCEROL, GUANINE, Queuine tRNA-ribosyltransferase, ... | | Authors: | Tidten, N, Heine, A, Reuter, K, Klebe, G. | | Deposit date: | 2007-04-27 | | Release date: | 2007-10-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Glutamate versus Glutamine Exchange Swaps Substrate Selectivity in tRNA-Guanine Transglycosylase: Insight into the Regulation of Substrate Selectivity by Kinetic and Crystallographic Studies.
J.Mol.Biol., 374, 2007
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1TFZ
 | | Structural basis for herbicidal inhibitor selectivity revealed by comparison of crystal structures of plant and mammalian 4-hydroxyphenylpyruvate dioxygenases | | Descriptor: | (1-TERT-BUTYL-5-HYDROXY-1H-PYRAZOL-4-YL)[6-(METHYLSULFONYL)-4'-METHOXY-2-METHYL-1,1'-BIPHENYL-3-YL]METHANONE, 4-hydroxyphenylpyruvate dioxygenase, FE (III) ION | | Authors: | Yang, C, Pflugrath, J.W, Camper, D.L, Foster, M.L, Pernich, D.J, Walsh, T.A. | | Deposit date: | 2004-05-27 | | Release date: | 2004-08-17 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for herbicidal inhibitor selectivity revealed by comparison of crystal structures of plant and Mammalian 4-hydroxyphenylpyruvate dioxygenases
Biochemistry, 43, 2004
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3JQK
 | | Crystal structure of the molybdenum cofactor biosynthesis protein C (TTHA1789) from Thermus Theromophilus HB8 (H32 FORM) | | Descriptor: | ACETATE ION, Molybdenum cofactor biosynthesis protein C, PHOSPHATE ION | | Authors: | Kanaujia, S.P, Jeyakanthan, J, Nakagawa, N, Sekar, K, Baba, S, Chen, L, Liu, Z.-J, Wang, B.-C, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2009-09-07 | | Release date: | 2010-06-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structures of apo and GTP-bound molybdenum cofactor biosynthesis protein MoaC from Thermus thermophilus HB8
Acta Crystallogr.,Sect.D, 66, 2010
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6C8X
 | | Wild-type HIV-1 protease in complex with a phenylboronic acid (P2') analog of darunavir | | Descriptor: | CHLORIDE ION, GLYCEROL, Protease, ... | | Authors: | Windsor, I.W, Raines, R.T, Forest, K.T. | | Deposit date: | 2018-01-25 | | Release date: | 2018-12-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.613 Å) | | Cite: | Sub-picomolar Inhibition of HIV-1 Protease with a Boronic Acid.
J. Am. Chem. Soc., 140, 2018
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1QIN
 | | HUMAN GLYOXALASE I COMPLEXED WITH S-(N-HYDROXY-N-P-IODOPHENYLCARBAMOYL) GLUTATHIONE | | Descriptor: | PROTEIN (LACTOYLGLUTATHIONE LYASE), S-(N-HYDROXY-N-IODOPHENYLCARBAMOYL)GLUTATHIONE, ZINC ION | | Authors: | Cameron, A.D, Ridderstrom, M, Olin, B, Mannervik, B. | | Deposit date: | 1999-06-14 | | Release date: | 1999-11-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Reaction mechanism of glyoxalase I explored by an X-ray crystallographic analysis of the human enzyme in complex with a transition state analogue.
Biochemistry, 38, 1999
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4UCF
 | | Crystal structure of Bifidobacterium bifidum beta-galactosidase in complex with alpha-galactose | | Descriptor: | BETA-GALACTOSIDASE, DI(HYDROXYETHYL)ETHER, N-PROPANOL, ... | | Authors: | Godoy, A.S, Murakami, M.T, Camilo, C.M, Bernardes, A, Polikarpov, I. | | Deposit date: | 2014-12-03 | | Release date: | 2016-01-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Crystal Structure of Beta1-6-Galactosidase from Bifidobacterium Bifidum S17: Trimeric Architecture, Molecular Determinants of the Enzymatic Activity and its Inhibition by Alpha-Galactose.
FEBS J., 283, 2016
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3J92
 | | Structure and assembly pathway of the ribosome quality control complex | | Descriptor: | 28S rRNA, 5.8S rRNA, 5S rRNA, ... | | Authors: | Shao, S, Brown, A, Santhanam, B, Hegde, R.S. | | Deposit date: | 2014-12-02 | | Release date: | 2015-01-21 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structure and Assembly Pathway of the Ribosome Quality Control Complex.
Mol.Cell, 57, 2015
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2ZBG
 | | Calcium pump crystal structure with bound AlF4 and TG in the absence of calcium | | Descriptor: | MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, 3ABETA, ... | | Authors: | Toyoshima, C, Ogawa, H, Norimatsu, Y. | | Deposit date: | 2007-10-20 | | Release date: | 2007-12-11 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | How processing of aspartylphosphate is coupled to lumenal gating of the ion pathway in the calcium pump
Proc.Natl.Acad.Sci.Usa, 104, 2007
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3TRJ
 | | Structure of a phosphoheptose isomerase from Francisella tularensis | | Descriptor: | Phosphoheptose isomerase | | Authors: | Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | Deposit date: | 2011-09-09 | | Release date: | 2011-09-21 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Rapid countermeasure discovery against Francisella tularensis based on a metabolic network reconstruction.
Plos One, 8, 2013
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3EB1
 | | Crystal structure PTP1B complex with small molecule inhibitor LZP-25 | | Descriptor: | 4-[3-(dibenzylamino)phenyl]-2,4-dioxobutanoic acid, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Liu, S, Zheng, L.-F, Wu, L, Yu, X, Xue, T, Gunawan, A.M, Long, Y.-Q, Zhang, Z.-Y. | | Deposit date: | 2008-08-26 | | Release date: | 2009-07-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Targeting inactive enzyme conformation: aryl diketoacid derivatives as a new class of PTP1B inhibitors.
J.Am.Chem.Soc., 130, 2008
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3OKL
 | | Crystal structure of S25-39 in complex with Kdo(2.8)Kdo | | Descriptor: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-8)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, S25-39 Fab (IgG1k) heavy chain, S25-39 Fab (IgG1k) light chain, ... | | Authors: | Blackler, R.J, Evans, S.V. | | Deposit date: | 2010-08-25 | | Release date: | 2011-04-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A Common NH53K Mutation in the Combining Site of Antibodies Raised against Chlamydial LPS Glycoconjugates Significantly Increases Avidity.
Biochemistry, 50, 2011
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4ERF
 | | crystal structure of MDM2 (17-111) in complex with compound 29 (AM-8553) | | Descriptor: | E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S,3S)-2-hydroxypentan-3-yl]-3-methyl-2-oxopiperidin-3-yl}acetic acid | | Authors: | Huang, X. | | Deposit date: | 2012-04-20 | | Release date: | 2012-05-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based design of novel inhibitors of the MDM2-p53 interaction.
J.Med.Chem., 55, 2012
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3TTK
 | | Crystal structure of apo-SpuD | | Descriptor: | Polyamine transport protein | | Authors: | Wu, D.H, Lim, S.C, Song, H.W. | | Deposit date: | 2011-09-14 | | Release date: | 2012-03-28 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | Structural Basis of Substrate Binding Specificity Revealed by the Crystal Structures of Polyamine Receptors SpuD and SpuE from Pseudomonas aeruginosa
J.Mol.Biol., 416, 2012
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3FY2
 | | Human EphA3 Kinase and Juxtamembrane Region Bound to Substrate KQWDNYEFIW | | Descriptor: | Ephrin type-A receptor 3, peptide substrate | | Authors: | Davis, T, Walker, J.R, Mackenzie, F, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-01-21 | | Release date: | 2009-02-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural recognition of an optimized substrate for the ephrin family of receptor tyrosine kinases.
Febs J., 276, 2009
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2PWU
 | | tRNA guanine transglycosylase in complex with guanine | | Descriptor: | GLYCEROL, GUANINE, Queuine tRNA-ribosyltransferase, ... | | Authors: | Tidten, N, Heine, A, Reuter, K, Klebe, G. | | Deposit date: | 2007-05-13 | | Release date: | 2007-10-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Glutamate versus Glutamine Exchange Swaps Substrate Selectivity in tRNA-Guanine Transglycosylase: Insight into the Regulation of Substrate Selectivity by Kinetic and Crystallographic Studies.
J.Mol.Biol., 374, 2007
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1ROS
 | | Crystal structure of MMP-12 complexed to 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl-4-(4-ethoxy[1,1-biphenyl]-4-yl)-4-oxobutanoic acid | | Descriptor: | 2-[2-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)ETHYL]-4-(4'-ETHOXY-1,1'-BIPHENYL-4-YL)-4-OXOBUTANOIC ACID, CALCIUM ION, Macrophage metalloelastase, ... | | Authors: | Morales, R, Perrier, S, Florent, J.M, Beltra, J, Dufour, S, De Mendez, I, Manceau, P, Tertre, A, Moreau, F, Compere, D, Dublanchet, A.C, O'Gara, M. | | Deposit date: | 2003-12-02 | | Release date: | 2004-12-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of novel non-peptidic, non-zinc chelating inhibitors bound to MMP-12.
J.Mol.Biol., 341, 2004
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2PKN
 | | Crystal structure of M tuberculosis Adenosine Kinase complexed with AMP-PCP (non-hydrolyzable ATP analog) | | Descriptor: | Adenosine kinase, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | | Authors: | Reddy, M.C.M, Palaninathan, S.K, Shetty, N.D, Owen, J.L, Watson, M.D, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2007-04-18 | | Release date: | 2007-06-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High resolution crystal structures of Mycobacterium tuberculosis adenosine kinase: insights into the mechanism and specificity of this novel prokaryotic enzyme
J.Biol.Chem., 282, 2007
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2B3E
 | | Crystal structure of DB819-D(CGCGAATTCGCG)2 complex. | | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', 6-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-2-{5-[4-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENYL]THIEN-2-YL}-1H-BENZIMIDAZOLE, MAGNESIUM ION | | Authors: | Campbell, N.H, Evans, D.A, Lee, M.P, Parkinson, G.N, Neidle, S. | | Deposit date: | 2005-09-20 | | Release date: | 2005-11-22 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Targeting the DNA minor groove with fused ring dicationic compounds: Comparison of in silico screening and a high-resolution crystal structure.
Bioorg.Med.Chem.Lett., 16, 2006
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3FTF
 | | Crystal structure of A. aeolicus KsgA in complex with RNA and SAH | | Descriptor: | 5'-R(P*AP*AP*CP*CP*GP*UP*AP*GP*GP*GP*GP*AP*AP*CP*CP*UP*GP*CP*GP*GP*UP*U)-3', Dimethyladenosine transferase, POTASSIUM ION, ... | | Authors: | Tu, C, Ji, X. | | Deposit date: | 2009-01-12 | | Release date: | 2009-03-24 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Basis for Binding of RNA and Cofactor by a KsgA Methyltransferase.
Structure, 17, 2009
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